#!/bin/bash
#SBATCH --job-name="MoS2-Mo"
#SBATCH -N 2
#SBATCH -n 8
#SBATCH -p RM
#SBATCH -t 9:59:00

# This job asks for 2 nodes with a total of 16 MPI tasks.
# It uses the regular memory (RM) nodes for up to 1 hour.

module load intel/20.4
module load intelmpi/20.4-intel20.4

# This loads the MPI version that you wish to use.
# It MUST match the one you used to compile your executable!
# Use "module available mpi" to see available versions.

mpirun -n $SLURM_NTASKS /opt/packages/VASP/VASP5/INTEL/vasp_std
